An application of chemometric techniques to analyze the effects of the wave function modifications on the intermolecular stretching frequencies of the hydrogen-bonded complexes

Factorial design and principal component models are used to determine how ab initio H-bond stretching frequencies depend on characteristics of the molecular orbital wave functions of acetylene–HX, ethylene–HX and cyclopropane–HX π-type hydrogen complexes with X=F, Cl, CN, NC and CCH. The results obtained for the three sets of complexes show that factorial design and principal component analyses complement each other. Factorial design calculations clearly show that these frequencies are affected mostly by inclusion of electron correlation on the calculation level. On average, their values are increased by about 25 cm⁻¹ due to a change from the Hartree–Fock (HF) to Möller–Plesset 2 (MP2) level. Valence, diffuse and polarization main effects as well as valence–diffuse, diffuse–correlation and polarization–correlation interaction effects are also important to better describe a factorial model to the H-bond stretching frequencies of these hydrogen complexes. This simplified model has been successful in reproducing the complete ab initio results, which correspond to two hundred and forty calculations. Principal component analyses applied only to hydrogen-bonded complexes whose experimental frequencies are known, has revealed that the six-dimensional original space can be accurately represented by a bidimensional space defined by two principal components. Its graphical representation reveals that the experimental intermolecular stretching frequencies are in closest agreement with the MP2/6–31+G and MP2/6–311+G ab initio results.     

Nisin expression production from Lactococcus lactis in milk whey medium

BACKGROUND: Nisin is a commercially available bacteriocin produced by Lactococcus lactis ATCC 11454 and used as a natural agent in the biopreservation of food. In the current investigation, milk whey, a byproduct from dairy industries was used as a fermentation substrate for the production of nisin. Lactococcus lactis ATCC 11454 was developed in a rotary shaker (30 °C/36 h/100 rpm) using two different media with milk whey (i) without filtration, pH 6.8, adjusted with NaOH 2 mol L^?1 and without pH adjustment, both autoclaved at 121 °C for 30 min, and (ii) filtrated (1.20 µm and 0.22 µm membrane filter). These cultures were transferred five times using 5 mL aliquots of broth culture for every new volume of the respective media. RESULTS: The results showed that culture media composed of milk whey without filtration supplied L. lactis its adaptation needs better than filtrated milk whey. Nisin titers, in milk whey without filtration (pH adjusted), was 11120.13 mg L^?1 in the second transfer, and up to 1628‐fold higher than the filtrated milk whey, 6.83 mg.L^?1 obtained in the first^t transfer. CONCLUSIONS: Biological processing of milk byproducts (milk whey) can be considered a profitable alternative, generating high‐value bioproducts and contributing to decreasing river disposals by dairy industries. Copyright © 2008 Society of Chemical Industry     

Low-cost, redundant proximity sensor system for spatial sensing andcolour perception

The authors describe their approach to the design of redundant proximity sensor systems that are capable of extracting geometrical information about the surrounding environment and perceiving other relevant features of the reflecting objects, e.g. colour. Potential applications of the proposed sensorial systems are in the field of robotics and autonomous mobility     

A web-based platform for biosignal visualization and annotation

With the advent of wearable sensing and mobile technologies, biosignals have seen an increasingly growing number of application areas, leading to the collection of large volumes of data. One of the difficulties in dealing with these data sets, and in the development of automated machine learning systems which use them as input, is the lack of reliable ground truth information. In this paper we present a new web-based platform for visualization, retrieval and annotation of biosignals by non-technical users, aimed at improving the process of ground truth collection for biomedical applications. Moreover, a novel extendable and scalable data representation model and persistency framework is presented. The results of the experimental evaluation with possible users has further confirmed the potential of the presented framework.     

A Biologically-Inspired Micro Aerial Vehicle

This paper introduces a novel framework for the design, modeling and control of a Micro Aerial Vehicle (MAV). The vehicle’s conceptual design is based on biologically-inspired principles and emulates a dragonfly (Odonata–Anisoptera). We have taken inspiration from the flight mechanism features of the dragonfly and have developed indigenous designs in creating a novel version of a Flapping Wing MAV (FWMAV). The MAV design incorporates a complex mechanical construction and a sophisticated multi-layered, hybrid, linear/non-linear controller to achieve extended flight times and improved agility compared to other rotary wing and FWMAV Vertical Take Off and Landing (VTOL) designs. The first MAV prototype will have a ballpark weight including sensor payload of around 30 g. The targeted lifting capability is about twice the weight. The MAV features state of the art sensing and instrumentation payload, which includes integrated high-power on-board processors, 6DoF inertial sensors, 3DoF compasses, GPS, embedded camera and long-range telemetry capability. A 3-layer control mechanism has been developed to harness the dynamics and attain complete navigational control of the MAV. The inner-layer is composed of a ‘quad hybrid-energy controller’ and two higher layers are at present, implementing a linear controller; the latter will be replaced eventually with a dynamic adaptive non-linear controller. The advantages of the proposed design compared to other similar ones include higher energy efficiency and extended flight endurance. The design features elastic storage and re-use of propulsion energy favoring energy conservation during flight. The design/modeling of the MAV and its kinematics & dynamics have been tested under simulation to achieve desired performance. The potential applications for such a high endurance vehicle are numerous, including air-deployable mass surveillance and reconnaissance in cluster and swarm formations. The efficacy of the design is demonstrated through a simulation environment. The dynamics are verified through simulations and a general linear controller coupled with an energy based non-linear controller is shown to operate the vehicle in a stable regime. In accordance with specified objectives a prototype is being developed for flight-testing and demonstration purposes.     

Crowd simulation: applying mobile grids to the social force model

The social force model (SF) is able to reproduce many emergent phenomena observed in real crowds. Unfortunately, in some situations, such as low density environments, SF may produce counterintuitive results where the trajectories simulated look more like particles than to real people. We modify the SF model through the use of a mobile grid to allow the simulated pedestrians to change the direction of their desired velocity at reasonable times, thus avoiding nearby blocked or crowded areas smoothly. Our experiments focus on qualitative behavior, and verify that our model produces the desired trajectories of the pedestrians, achieving softer and more coherent trajectories when compared to the pure SF model solution. Like SF, our model reproduces the “faster-is-slower” and the arching underlying the clogging effects. Finally, we examine the occupation rates of the space when pedestrians were submitted to narrowed corridors and observe the “edge effect.”     

Thermal properties of duck fatty liver (foie gras) products

Thermal properties of duck fatty liver (foie gras), foie gras emulsion and fatty liver fat, as well as regular duck fat, were determined as a function of temperature. Density of foie gras and foie gras fat and emulsion at 20°C was measured as 947, 836, and 928 kg/m³, respectively. Differential scanning calorimetry thermograms for foie gras fat resulted in melting points ranging from –20 to 40°C. Values for the specific heat at 65°C for the fatty liver, its emulsion and fat, and duck fat were 1.79, 2.38, 1.71, and 2.48 J/g°C, respectively. Thermal conductivity of foie gras (organ) and its emulsion at 40°C was determined as 0.330 and 0.428 W/m°C, respectively. Mathematical models based on composition and temperature were developed for all the thermal properties obtained in this work.     

Characterization of Microencapsulated Rosemary Essential Oil and Its Antimicrobial Effect on Fresh Dough

This study aimed to characterize rosemary essential oil particles obtained by spray-drying and to evaluate their antimicrobial activity. Measurements of mycelial growth of Penicillium and Aspergillus fungi, isolated from fresh dough, were made applying oil concentrations of 1.0, 5.0, 10.0, 20.0, and 50.0 μL/mL. Fungi and yeast counts in the fresh dough submitted to the control (no oil), pure oil, and microencapsulated oil treatments were also conducted. The microcapsules showed 50 % oil retention after drying, and the major oil components identified were 1,8-cineole (29.0 %), camphor (26.6 %), and α-pinene (10.6 %). The analysis of the particles revealed surfaces without fissures, with a mean particle size of 12.2 μm and presenting an amorphous structure. The growth inhibiting effect of Penicillium sp. fungus, compared to the control, was verified at concentrations of 1.0, 5.0, and 10.0 μL/mL rosemary essential oil, which did not differ among them. For Aspergillus sp., the application of 10.0 μL/mL oil provided greater inhibition compared to 1.0 and 5.0 μL/mL. Complete inhibition occurred with the application of 50.0 μL/mL for both fungal genera tested. At 8 days of dough storage at 25 °C, a decrease of at least 0.7 and 1.5 log cycles of fungal growth was observed in the dough with pure oil and that with microencapsulated oil, respectively, relative to the control. The microencapsulation process retained the antimicrobial property of rosemary essential oil and provided further extension of this activity over time when applied to fresh dough.     

Saccharopine Dehydrogenase Activity in the High-Lysine Opaque and Floury Maize Mutants

Lysine is an essential amino acid normally present in very low concentration in cereal seeds. In previous reports we have studied the metabolism of lysine in several distinct high-lysine maize mutants and observed drastic variations in the activity of saccharopine dehydrogenase (SDH), a key enzyme involved in lysine degradation. We have now analyzed the activity of SDH using non-denaturing polyacrylamide gel electrophoresis (PAGE) to identify possible isoenzymes that could explain the patterns of activity previously observed. The results indicated the presence of at least two SDH isoenzymes, one contributing to approximately 90% of the total enzyme activity and a minor form only present in the wild type lines and the opaque-1 mutant. The results suggest that the differences in total SDH activity among the genotypes tested are due to alterations in the predominant SDH isoenzymic form, which is likely to be the bifunctional polypeptide containing lysine 2-oxoglutarate reductase.